Re: [gmx-users] Frozen covalent bound atoms

constraints freeze_grps virtual_sites Cheers, Tsjerk On Jul 9, 2013 10:36 PM, Nash, Anthony anthony.n...@warwick.ac.uk wrote: Hi all, I would imagine this has been covered before, yet I don't think I have unearthed the right search inquiry yet. I want to make a dihedral angle along the

[gmx-users] Frozen covalent bound atoms

Hi all, I would imagine this has been covered before, yet I don't think I have unearthed the right search inquiry yet. I want to make a dihedral angle along the length of a helical protein using the vectors (A, B, C), (B, C, D), where B is a C-alpha on the helix backbone, and A , C and D are